Viewing structure-1000-multi.table
| All-Atom Contacts |
Clashscore, all atoms: | 16.19 | 45th percentile* (N=1784, all resolutions) |
| Clashscore is the number of serious steric overlaps (> 0.4 Å) per 1000 atoms. | |||
| Nucleic Acid Geometry |
Probably wrong sugar puckers: | 6 | Goal: 0 |
| Bad backbone conformations#: | 11 | Goal: 0 | |
| Residues with bad bonds: | 16.67% | Goal: 0% | |
| Residues with bad angles: | 93.33% | Goal: <0.1% | |
# RNA backbone was recently shown to be rotameric. Outliers are RNA suites that don't fall into recognized rotamers.
| # | Res | High B | Clash > 0.4Å | Base-P perp. dist. | RNA suite conf. | Bond lengths. | Bond angles. |
| Avg: 0.00 | Clashscore: 16.19 | Outliers: 6 of 30 | Outliers: 11 of 30 | Outliers: 5 of 30 | Outliers: 28 of 30 | ||
| A 1 | U | 0 | - | - | conformer: __ &delta&delta&gamma none (incomplete) | - | - |
| A 2 | C | 0 | - | - | conformer: 1c &delta&delta&gamma 33 t, suiteness = 0.092 | - | 2 OUTLIER(S) worst is C5'-C4'-C3': -4.505 &sigma |
| A 3 | A | 0 | 0.45Å C4 with A 4 G C8 | - | conformer: 1c &delta&delta&gamma 33 t, suiteness = 0.386 | - | 3 OUTLIER(S) worst is C3'-C2'-C1': -6.137 &sigma |
| A 4 | G | 0 | 0.45Å C8 with A 3 A C4 | suspect sugar pucker - &delta outlier (base-p distance indicates 3'-endo) | OUTLIER &delta&delta&gamma none (triaged delta ) | - | 2 OUTLIER(S) worst is O4'-C1'-N19: 5.411 &sigma |
| A 5 | G | 0 | 0.533Å N2 with A 21 U H1' | - | OUTLIER &delta&delta&gamma none (triaged delta-1 ) | - | 3 OUTLIER(S) worst is O3'-P-O5': 6.25 &sigma |
| A 6 | C | 0 | - | - | conformer: 1b &delta&delta&gamma 32 p, suiteness = 0.21 | - | 2 OUTLIER(S) worst is O3'-P-O5': 5.765 &sigma |
| A 7 | A | 0 | 0.5Å N6 with A 5 G N3 | suspect sugar pucker - &epsilon outlier (base-p distance indicates 3'-endo) | conformer: 4g &delta&delta&gamma 23 p, suiteness = 0.076 | - | - |
| A 8 | C | 0 | 0.435Å P with A 7 A HO2' | - | OUTLIER &delta&delta&gamma none (triaged epsilon-1 ) | - | 2 OUTLIER(S) worst is C5'-C4'-C3': -4.692 &sigma |
| A 9 | A | 0 | 0.612Å N6 with A 30 C C6 | - | OUTLIER &delta&delta&gamma 33 p | - | 1 OUTLIER(S) worst is OP1-P-OP2: -4.201 &sigma |
| A 12 | U | 0 | 0.416Å H2' with A 13 G C8 | - | conformer: __ &delta&delta&gamma none (incomplete) | - | 2 OUTLIER(S) worst is C4'-C3'-C2': -5.809 &sigma |
| A 13 | G | 0 | 0.836Å H21 with A 14 C N4 | suspect sugar pucker - &delta & &epsilon outlier (base-p distance indicates 2'-endo) | conformer: 1b &delta&delta&gamma 32 p, suiteness = 0.053 | 4 OUTLIER(S) worst is P--O5': 7.416 &sigma | 9 OUTLIER(S) worst is C5'-C4'-O4': -8.667 &sigma |
| A 14 | C | 0 | 0.836Å N4 with A 13 G H21 | - | OUTLIER &delta&delta&gamma none (triaged epsilon-1 ) | 1 OUTLIER(S) worst is C5'--C4': 4.082 &sigma | 3 OUTLIER(S) worst is P-O3'-C3': 8.272 &sigma |
| A 15 | C | 0 | - | - | conformer: 1a &delta&delta&gamma 33 p, suiteness = 0.509 | 1 OUTLIER(S) worst is P--O5': -7.505 &sigma | 4 OUTLIER(S) worst is O5'-C5'-C4': -7.894 &sigma |
| A 16 | A | 0 | - | - | conformer: 1c &delta&delta&gamma 33 t, suiteness = 0.382 | - | 3 OUTLIER(S) worst is OP1-P-OP2: -5.049 &sigma |
| A 17 | C | 0 | - | - | conformer: 1L &delta&delta&gamma 33 p, suiteness = 0.571 | - | 2 OUTLIER(S) worst is O4'-C1'-N19: 7.935 &sigma |
| A 18 | A | 0 | - | - | conformer: 1a &delta&delta&gamma 33 p, suiteness = 0.531 | - | 3 OUTLIER(S) worst is O4'-C1'-N19: 5.475 &sigma |
| A 19 | G | 0 | - | - | conformer: 1c &delta&delta&gamma 33 t, suiteness = 0.267 | - | 3 OUTLIER(S) worst is C3'-C2'-C1': -6.308 &sigma |
| A 20 | C | 0 | - | - | conformer: 1a &delta&delta&gamma 33 p, suiteness = 0.547 | - | 2 OUTLIER(S) worst is O4'-C1'-N19: 8.184 &sigma |
| A 21 | U | 0 | 0.533Å H1' with A 5 G N2 | - | conformer: 1a &delta&delta&gamma 33 p, suiteness = 0.179 | - | 2 OUTLIER(S) worst is O4'-C1'-N19: 7.041 &sigma |
| A 22 | U | 0 | 0.516Å C5 with A 21 U C4 | - | OUTLIER &delta&delta&gamma 33 t ( 7D dist 1e ) | 2 OUTLIER(S) worst is P--O3': -4.237 &sigma | 2 OUTLIER(S) worst is C3'-C2'-C1': -4.427 &sigma |
| # | Res | High B | Clash > 0.4Å | Base-P perp. dist. | RNA suite conf. | Bond lengths. | Bond angles. |
| Avg: 0.00 | Clashscore: 16.19 | Outliers: 6 of 30 | Outliers: 11 of 30 | Outliers: 5 of 30 | Outliers: 28 of 30 | ||
| A 23 | G | 0 | - | - | conformer: 1c &delta&delta&gamma 33 t, suiteness = 0.152 | - | 3 OUTLIER(S) worst is C3'-C2'-C1': -5.863 &sigma |
| A 24 | A | 0 | - | - | conformer: 1a &delta&delta&gamma 33 p, suiteness = 0.563 | - | 2 OUTLIER(S) worst is O4'-C1'-N19: 4.575 &sigma |
| A 29 | A | 0 | - | - | conformer: __ &delta&delta&gamma none (incomplete) | - | 1 OUTLIER(S) worst is C5'-C4'-C3': -4.677 &sigma |
| A 30 | C | 0 | 0.612Å C6 with A 9 A N6 | - | OUTLIER &delta&delta&gamma 33 t | - | 2 OUTLIER(S) worst is O4'-C1'-N19: 7.418 &sigma |
| A 31 | U | 0 | 0.454Å C5' with A 30 C H5'' | suspect sugar pucker - &delta outlier (base-p distance indicates 3'-endo) | OUTLIER &delta&delta&gamma 33 p | - | 4 OUTLIER(S) worst is C5'-C4'-O4': 8.196 &sigma |
| A 32 | G | 0 | - | - | conformer: 1c &delta&delta&gamma 33 t, suiteness = 0.01 | - | 1 OUTLIER(S) worst is OP1-P-OP2: -4.792 &sigma |
| A 33 | U | 0 | - | suspect sugar pucker - &delta outlier (base-p distance indicates 3'-endo) | OUTLIER &delta&delta&gamma none (triaged alpha ) | - | 3 OUTLIER(S) worst is O4'-C1'-N19: 8.72 &sigma |
| A 34 | G | 0 | - | - | conformer: 1a &delta&delta&gamma 33 p, suiteness = 0.118 | 1 OUTLIER(S) worst is P--O5': -4.348 &sigma | 2 OUTLIER(S) worst is O4'-C1'-N19: 6.92 &sigma |
| A 35 | C | 0 | - | suspect sugar pucker - &delta outlier (base-p distance indicates 3'-endo) | OUTLIER &delta&delta&gamma none (triaged delta ) | - | 2 OUTLIER(S) worst is C4'-C3'-C2': -4.725 &sigma |
| A 36 | A | 0 | 0.478Å C4 with A 14 C N4 | - | OUTLIER &delta&delta&gamma none (triaged delta-1 ) | - | 2 OUTLIER(S) worst is O3'-P-O5': 6.476 &sigma |
| 33 | NA | 0 | - | - | - | - | - |
| 34 | NA | 0 | - | - | - | - | - |
| 35 | NA | 0 | - | - | - | - | - |
| 36 | NA | 0 | - | - | - | - | - |
| 37 | NA | 0 | - | - | - | - | - |
| 38 | NA | 0 | - | - | - | - | - |
| 39 | NA | 0 | - | - | - | - | - |
| 40 | NA | 0 | - | - | - | - | - |
| 41 | NA | 0 | - | - | - | - | - |
| 42 | NA | 0 | - | - | - | - | - |
| # | Res | High B | Clash > 0.4Å | Base-P perp. dist. | RNA suite conf. | Bond lengths. | Bond angles. |
| Avg: 0.00 | Clashscore: 16.19 | Outliers: 6 of 30 | Outliers: 11 of 30 | Outliers: 5 of 30 | Outliers: 28 of 30 | ||
| 43 | NA | 0 | - | - | - | - | - |
| 44 | NA | 0 | - | - | - | - | - |
| 45 | NA | 0 | - | - | - | - | - |
| 46 | NA | 0 | - | - | - | - | - |
| 47 | NA | 0 | - | - | - | - | - |
| 48 | NA | 0 | - | - | - | - | - |
| 49 | NA | 0 | - | - | - | - | - |
| 50 | NA | 0 | - | - | - | - | - |
| 51 | NA | 0 | - | - | - | - | - |
| 52 | NA | 0 | - | - | - | - | - |
| 53 | NA | 0 | - | - | - | - | - |
| 54 | NA | 0 | - | - | - | - | - |
| 55 | NA | 0 | - | - | - | - | - |
| 56 | NA | 0 | - | - | - | - | - |
| 57 | NA | 0 | - | - | - | - | - |
| 58 | NA | 0 | - | - | - | - | - |
| 59 | NA | 0 | - | - | - | - | - |
| 60 | NA | 0 | - | - | - | - | - |
| 61 | NA | 0 | - | - | - | - | - |
| 62 | NA | 0 | - | - | - | - | - |